Chlorine in PDB 7jhw: The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
Enzymatic activity of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
All present enzymatic activity of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site:
4.2.1.20;
Protein crystallography data
The structure of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7jhw
was solved by
E.Hilario,
L.J.Mueller,
M.F.Dunn,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.44 /
1.65
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
181.359,
58.4,
67.15,
90,
94.31,
90
|
R / Rfree (%)
|
17.6 /
21.7
|
Other elements in 7jhw:
The structure of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
(pdb code 7jhw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7jhw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 1 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_01.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl310
b:36.6
occ:1.00
|
O
|
A:HOH636
|
2.9
|
35.4
|
1.0
|
O
|
A:HOH562
|
3.3
|
22.4
|
1.0
|
O
|
A:HOH514
|
3.7
|
25.6
|
1.0
|
O
|
A:HOH512
|
3.7
|
20.5
|
1.0
|
CD1
|
A:PHE114
|
3.9
|
14.1
|
1.0
|
O
|
A:HOH430
|
4.1
|
24.9
|
1.0
|
O
|
A:HOH516
|
4.1
|
32.4
|
1.0
|
CE2
|
A:PHE82
|
4.2
|
25.8
|
1.0
|
O
|
B:HOH579
|
4.2
|
18.3
|
1.0
|
CE1
|
A:PHE114
|
4.4
|
12.6
|
1.0
|
O
|
A:HOH670
|
4.4
|
21.6
|
1.0
|
CD2
|
A:PHE82
|
4.6
|
23.2
|
1.0
|
O
|
A:HOH594
|
4.6
|
34.4
|
1.0
|
O
|
A:LEU105
|
4.6
|
12.9
|
1.0
|
CG
|
A:PHE114
|
4.9
|
13.9
|
1.0
|
CZ
|
A:PHE82
|
5.0
|
22.8
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 2 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_02.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl311
b:45.5
occ:1.00
|
O
|
A:HOH694
|
3.2
|
39.5
|
1.0
|
O
|
A:HOH583
|
3.6
|
40.4
|
1.0
|
NH1
|
A:ARG140
|
3.7
|
19.6
|
1.0
|
NH2
|
A:ARG140
|
3.8
|
21.7
|
1.0
|
OH
|
A:TYR169
|
3.8
|
29.0
|
1.0
|
CZ
|
A:ARG140
|
4.2
|
21.0
|
1.0
|
O
|
A:HOH551
|
4.3
|
22.9
|
1.0
|
CZ
|
A:TYR169
|
4.5
|
26.7
|
1.0
|
O
|
A:HOH534
|
4.6
|
29.0
|
1.0
|
O
|
A:VAL133
|
4.8
|
15.6
|
0.7
|
CE2
|
A:TYR169
|
4.8
|
26.8
|
1.0
|
O
|
A:VAL133
|
4.8
|
15.7
|
0.3
|
CB
|
A:ALA137
|
4.9
|
16.0
|
1.0
|
|
Chlorine binding site 3 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 3 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_03.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl312
b:21.3
occ:1.00
|
O
|
A:HOH602
|
2.9
|
47.3
|
1.0
|
O
|
A:ALA167
|
3.0
|
20.2
|
1.0
|
O
|
A:GLY170
|
3.1
|
24.6
|
1.0
|
O
|
A:HIS204
|
3.6
|
17.4
|
1.0
|
O
|
A:HOH482
|
3.9
|
22.4
|
0.7
|
O
|
A:HOH463
|
4.0
|
31.0
|
1.0
|
N
|
A:ALA206
|
4.1
|
17.6
|
1.0
|
C
|
A:GLY170
|
4.2
|
21.1
|
1.0
|
NH2
|
A:ARG171
|
4.2
|
25.5
|
1.0
|
C
|
A:ALA167
|
4.2
|
18.8
|
1.0
|
O
|
A:SER168
|
4.3
|
23.0
|
1.0
|
C
|
A:ALA205
|
4.4
|
18.0
|
1.0
|
CD
|
A:ARG171
|
4.5
|
24.9
|
1.0
|
CA
|
A:ALA205
|
4.5
|
17.5
|
1.0
|
C
|
A:HIS204
|
4.7
|
16.6
|
1.0
|
C
|
A:SER168
|
4.7
|
21.1
|
1.0
|
CZ
|
A:ARG171
|
4.9
|
25.7
|
1.0
|
CA
|
A:ALA206
|
4.9
|
17.1
|
1.0
|
N
|
A:GLY170
|
4.9
|
20.9
|
1.0
|
CA
|
A:SER168
|
5.0
|
21.5
|
1.0
|
NE
|
A:ARG171
|
5.0
|
26.0
|
1.0
|
CA
|
A:ARG171
|
5.0
|
19.1
|
1.0
|
CB
|
A:ALA206
|
5.0
|
16.6
|
1.0
|
|
Chlorine binding site 4 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 4 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_04.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl417
b:49.6
occ:1.00
|
O
|
B:HOH627
|
3.1
|
29.5
|
0.5
|
O
|
B:HOH774
|
3.5
|
20.0
|
1.0
|
O
|
B:GLY274
|
3.5
|
14.8
|
1.0
|
C
|
B:GLY274
|
4.1
|
13.3
|
1.0
|
CA
|
B:ARG275
|
4.2
|
13.3
|
0.6
|
O
|
B:LEU271
|
4.2
|
12.7
|
1.0
|
CA
|
B:ARG275
|
4.2
|
13.3
|
0.5
|
N
|
B:VAL276
|
4.3
|
13.2
|
1.0
|
N
|
B:ARG275
|
4.4
|
13.4
|
0.5
|
N
|
B:ARG275
|
4.4
|
13.4
|
0.6
|
CG2
|
B:VAL276
|
4.5
|
16.0
|
1.0
|
O
|
B:PRO270
|
4.5
|
12.5
|
1.0
|
C
|
B:ARG275
|
4.6
|
13.2
|
0.6
|
O
|
B:HOH1009
|
4.6
|
29.6
|
1.0
|
C
|
B:ARG275
|
4.7
|
13.4
|
0.5
|
O
|
B:HOH879
|
4.8
|
18.5
|
1.0
|
CB
|
B:PRO285
|
4.9
|
11.8
|
1.0
|
N
|
B:GLY274
|
4.9
|
14.7
|
1.0
|
O
|
B:HOH548
|
4.9
|
34.5
|
1.0
|
|
Chlorine binding site 5 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 5 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_05.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl418
b:50.0
occ:1.00
|
O
|
B:ARG150
|
3.8
|
13.8
|
1.0
|
C
|
B:ARG150
|
4.0
|
13.5
|
1.0
|
CA
|
B:LEU151
|
4.0
|
12.9
|
1.0
|
N
|
B:LEU151
|
4.1
|
12.1
|
1.0
|
CD2
|
B:LEU151
|
4.1
|
13.2
|
1.0
|
CE1
|
B:PHE147
|
4.4
|
17.9
|
1.0
|
CB
|
B:ARG150
|
4.5
|
15.9
|
1.0
|
CG
|
B:LEU151
|
4.6
|
14.1
|
1.0
|
O
|
B:HOH613
|
4.8
|
17.0
|
1.0
|
CA
|
B:ARG150
|
4.8
|
13.3
|
1.0
|
CZ
|
B:PHE147
|
4.9
|
18.6
|
1.0
|
CB
|
B:LEU151
|
4.9
|
12.8
|
1.0
|
|
Chlorine binding site 6 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 6 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_06.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl419
b:56.9
occ:1.00
|
C
|
B:LEU128
|
4.0
|
15.1
|
1.0
|
N
|
B:LYS129
|
4.0
|
14.3
|
1.0
|
O
|
B:GLY127
|
4.0
|
17.2
|
1.0
|
O
|
B:LEU128
|
4.1
|
14.7
|
1.0
|
CA
|
B:LYS129
|
4.2
|
15.7
|
1.0
|
C
|
B:GLY127
|
4.3
|
16.5
|
1.0
|
CB
|
B:LYS129
|
4.3
|
18.6
|
1.0
|
N
|
B:LEU128
|
4.6
|
16.9
|
1.0
|
CA
|
B:LEU128
|
4.7
|
16.2
|
1.0
|
O
|
B:HOH647
|
4.7
|
19.5
|
1.0
|
CA
|
B:GLY127
|
4.9
|
16.3
|
1.0
|
O
|
B:HOH699
|
4.9
|
21.3
|
1.0
|
|
Chlorine binding site 7 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 7 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_07.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl420
b:58.9
occ:1.00
|
O
|
B:LYS37
|
3.5
|
21.2
|
1.0
|
O
|
B:HOH970
|
3.7
|
29.9
|
1.0
|
C
|
B:LYS37
|
3.7
|
21.1
|
1.0
|
O
|
B:GLN36
|
3.8
|
19.1
|
1.0
|
O
|
B:DMS405
|
3.9
|
49.2
|
1.0
|
CA
|
B:LYS37
|
4.0
|
19.6
|
1.0
|
O
|
B:HOH659
|
4.1
|
43.3
|
1.0
|
N
|
B:PRO39
|
4.1
|
18.6
|
1.0
|
N
|
B:ASP38
|
4.2
|
18.1
|
1.0
|
C
|
B:ASP38
|
4.4
|
18.3
|
1.0
|
CA
|
B:PRO39
|
4.4
|
17.7
|
1.0
|
CD
|
B:PRO39
|
4.4
|
20.5
|
1.0
|
O
|
B:HOH1032
|
4.5
|
38.1
|
1.0
|
CG
|
B:GLN42
|
4.5
|
13.0
|
1.0
|
C
|
B:GLN36
|
4.6
|
19.2
|
1.0
|
CB
|
B:PRO39
|
4.6
|
18.3
|
1.0
|
O
|
B:ASP38
|
4.7
|
14.8
|
1.0
|
N
|
B:LYS37
|
4.7
|
18.7
|
1.0
|
CA
|
B:ASP38
|
4.8
|
17.3
|
1.0
|
|
Chlorine binding site 8 out
of 12 in 7jhw
Go back to
Chlorine Binding Sites List in 7jhw
Chlorine binding site 8 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_08.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl421
b:59.3
occ:1.00
|
OE2
|
B:GLU11
|
3.2
|
25.9
|
0.5
|
CD1
|
B:TYR8
|
4.2
|
15.6
|
1.0
|
CG
|
B:TYR8
|
4.2
|
13.2
|
1.0
|
CD
|
B:GLU11
|
4.3
|
21.3
|
0.5
|
CE1
|
B:TYR8
|
4.3
|
15.0
|
1.0
|
O
|
B:HOH599
|
4.3
|
21.5
|
1.0
|
CD2
|
B:TYR8
|
4.4
|
13.7
|
1.0
|
O
|
B:HOH619
|
4.4
|
35.2
|
1.0
|
CZ
|
B:TYR8
|
4.5
|
14.4
|
1.0
|
CE2
|
B:TYR8
|
4.5
|
13.8
|
1.0
|
O
|
B:GLY10
|
4.5
|
16.7
|
1.0
|
OE1
|
B:GLU11
|
4.7
|
23.7
|
0.5
|
O
|
A:HOH729
|
4.7
|
32.7
|
1.0
|
CB
|
B:TYR8
|
4.8
|
13.8
|
1.0
|
O
|
B:HOH530
|
4.9
|
47.9
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 7jhw
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Chlorine Binding Sites List in 7jhw
Chlorine binding site 9 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_09.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl422
b:68.8
occ:1.00
|
O
|
B:LYS219
|
3.7
|
16.8
|
1.0
|
C
|
B:GLU220
|
3.9
|
16.4
|
1.0
|
N
|
B:GLY221
|
3.9
|
15.2
|
1.0
|
O
|
B:HOH707
|
4.0
|
42.0
|
1.0
|
C
|
B:LYS219
|
4.1
|
15.4
|
1.0
|
O
|
B:HOH703
|
4.1
|
45.5
|
1.0
|
O
|
B:ASP218
|
4.1
|
18.0
|
1.0
|
O
|
B:GLU220
|
4.2
|
18.2
|
1.0
|
N
|
B:GLU220
|
4.3
|
15.4
|
1.0
|
CA
|
B:GLY221
|
4.3
|
18.4
|
1.0
|
CA
|
B:GLU220
|
4.3
|
15.5
|
1.0
|
C
|
B:ASP218
|
4.9
|
16.6
|
1.0
|
O
|
B:LEU217
|
5.0
|
16.4
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 7jhw
Go back to
Chlorine Binding Sites List in 7jhw
Chlorine binding site 10 out
of 12 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_10.jpg) Mono view
![](/pictures/CL/pdb/jh/7jhw-CL-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl423
b:47.4
occ:1.00
|
O
|
B:HOH775
|
2.9
|
41.1
|
1.0
|
O
|
B:HOH800
|
3.0
|
15.6
|
1.0
|
CD2
|
B:PHE9
|
3.6
|
13.9
|
1.0
|
CE2
|
B:TYR315
|
4.0
|
15.0
|
1.0
|
CE2
|
B:PHE9
|
4.1
|
13.8
|
1.0
|
O
|
B:HOH1020
|
4.3
|
24.6
|
1.0
|
CD2
|
B:TYR315
|
4.4
|
11.5
|
1.0
|
NE2
|
B:GLN312
|
4.7
|
10.5
|
1.0
|
CG
|
B:PHE9
|
4.7
|
12.5
|
1.0
|
CZ
|
B:TYR315
|
4.8
|
14.4
|
1.0
|
O
|
B:HOH760
|
4.8
|
26.7
|
1.0
|
CB
|
B:PHE9
|
5.0
|
11.6
|
1.0
|
O
|
B:HOH565
|
5.0
|
27.6
|
1.0
|
|
Reference:
E.Hilario,
L.J.Mueller,
M.F.Dunn.
The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site and Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Mon Jul 29 23:07:06 2024
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